2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline

C13H13Cl2N3O — CID 82830646

IUPAC2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cc(-c2nc(C3CCCC3)no2)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)11(9)16)13-17-12(18-19-13)7-3-1-2-4-7/h5-7H,1-4,16H2
InChIKeyBFXNFUYIZNZTBK-UHFFFAOYSA-N
MW298.17 g/mol
LogP4.28
Rot. Bonds2

About 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline

2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 82830646) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID82830646
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline
SMILESNc1c(Cl)cc(-c2nc(C3CCCC3)no2)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)11(9)16)13-17-12(18-19-13)7-3-1-2-4-7/h5-7H,1-4,16H2
InChIKeyBFXNFUYIZNZTBK-UHFFFAOYSA-N
XLogP4.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-bromo-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 107813765
2-bromo-4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)aniline
CID 65391085
2-chloro-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 80620097
2-chloro-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)aniline
CID 112707854
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diamine
CID 107811681
[4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]methanamine
CID 114324958
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)furan-2-sulfonamide
CID 154752310
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-amine
CID 62807856
4-bromo-3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)aniline
CID 113281173
5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylthiophen-2-amine
CID 43100925
5-(2-chloro-4-pyridinyl)-3-cyclopropyl-1,2,4-oxadiazole
CID 53353035

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline (CID 82830646) is 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline is Nc1c(Cl)cc(-c2nc(C3CCCC3)no2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is BFXNFUYIZNZTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c14-9-5-8(6-10(15)11(9)16)13-17-12(18-19-13)7-3-1-2-4-7/h5-7H,1-4,16H2.
What are the key properties of 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline?
2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 298.17 g/mol, XLogP of 4.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 82830646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).